(4-bromophenyl)-(2,6-dimethylmorpholin-4-yl)methanone

C13H16BrNO2 — CID 2851560

IUPAC(4-bromophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Br)cc2)CC(C)O1
InChIInChI=1S/C13H16BrNO2/c1-9-7-15(8-10(2)17-9)13(16)11-3-5-12(14)6-4-11/h3-6,9-10H,7-8H2,1-2H3
InChIKeyCXDKMPZHGSWYOF-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.70
Rot. Bonds1

About (4-bromophenyl)-(2,6-dimethylmorpholin-4-yl)methanone

(4-bromophenyl)-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 2851560) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is (4-bromophenyl)-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID2851560
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name(4-bromophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Br)cc2)CC(C)O1
InChIInChI=1S/C13H16BrNO2/c1-9-7-15(8-10(2)17-9)13(16)11-3-5-12(14)6-4-11/h3-6,9-10H,7-8H2,1-2H3
InChIKeyCXDKMPZHGSWYOF-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (4-bromophenyl)-(2,6-dimethylmorpholin-4-yl)methanone (CID 2851560) is (4-bromophenyl)-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2ccc(Br)cc2)CC(C)O1.
What is the InChIKey of (4-bromophenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is CXDKMPZHGSWYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-9-7-15(8-10(2)17-9)13(16)11-3-5-12(14)6-4-11/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of (4-bromophenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
(4-bromophenyl)-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 298.18 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 2851560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).